Geometry & MOs

Info

ID:	60223
PubChem CID:	26675932
Reduced:	FO3N5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibutyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations